Chemical ID: 5576008

c1ccc-2c(c1)-c3c2nc4ccccc4n3
Chemical ID:
5576008
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)-c3c2nc4ccccc4n3
InChi [?]:
InChI=1/C14H8N2/c1-2-6-10-9(5-1)13-14(10)16-12-8-4-3-7-11(12)15-13/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,13,12,6,3,14,11,5,4,15,10,7,8,16,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:16nCCCCCCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s4s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8N2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.08436
Area:370.338
Solvation:-1.17408
Coulombic:-13.8212
Bond Count [?]
All:19
Single:11
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:204.227
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.48
LogP (Chemaxon):3.34

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Descriptor Annotations

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